3-(2-methoxyethoxy)propyl 2-(methylamino)benzoate

C14H21NO4 — CID 103403616

IUPAC3-(2-methoxyethoxy)propyl 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OCCCOCCOC
InChIInChI=1S/C14H21NO4/c1-15-13-7-4-3-6-12(13)14(16)19-9-5-8-18-11-10-17-2/h3-4,6-7,15H,5,8-11H2,1-2H3
InChIKeyXTJCOVFTDUZGPE-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.94
Rot. Bonds9

About 3-(2-methoxyethoxy)propyl 2-(methylamino)benzoate

3-(2-methoxyethoxy)propyl 2-(methylamino)benzoate (PubChem CID 103403616) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)propyl 2-(methylamino)benzoate.

Molecular Properties

Compound Name3-(2-methoxyethoxy)propyl 2-(methylamino)benzoate
PubChem CID103403616
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name3-(2-methoxyethoxy)propyl 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OCCCOCCOC
InChIInChI=1S/C14H21NO4/c1-15-13-7-4-3-6-12(13)14(16)19-9-5-8-18-11-10-17-2/h3-4,6-7,15H,5,8-11H2,1-2H3
InChIKeyXTJCOVFTDUZGPE-UHFFFAOYSA-N
XLogP1.94
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-iodoethyl 2-(methylamino)benzoate
CID 25050917
2-(3-methoxypropoxy)ethyl 2-sulfanylbenzoate
CID 107019127
bis(4-methoxybutyl) benzene-1,2-dicarboxylate
CID 57031547
3-(2-methoxyethoxy)propyl 2-fluoro-3-methylbenzoate
CID 103407273
2-propan-2-yloxyethyl 2-(methylamino)benzoate
CID 60643656
6-azidohexyl 2-(methylamino)benzoate
CID 102394313
methyl 2-(methylamino)benzoate;hydrochloride
CID 141440626
3-methoxypropyl 2-aminobenzoate
CID 61278385
2-(3-methoxypropoxycarbonyl)benzoic acid
CID 150715218
1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate
CID 153260877
bis[3-(3-hydroxypropoxy)propyl] benzene-1,2-dicarboxylate
CID 142688933
3-methoxypropyl 2-fluorobenzoate
CID 63297243

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)propyl 2-(methylamino)benzoate?
The IUPAC name of 3-(2-methoxyethoxy)propyl 2-(methylamino)benzoate (CID 103403616) is 3-(2-methoxyethoxy)propyl 2-(methylamino)benzoate.
What is the SMILES notation for 3-(2-methoxyethoxy)propyl 2-(methylamino)benzoate?
The canonical SMILES for 3-(2-methoxyethoxy)propyl 2-(methylamino)benzoate is CNc1ccccc1C(=O)OCCCOCCOC.
What is the InChIKey of 3-(2-methoxyethoxy)propyl 2-(methylamino)benzoate?
The InChIKey is XTJCOVFTDUZGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-15-13-7-4-3-6-12(13)14(16)19-9-5-8-18-11-10-17-2/h3-4,6-7,15H,5,8-11H2,1-2H3.
What are the key properties of 3-(2-methoxyethoxy)propyl 2-(methylamino)benzoate?
3-(2-methoxyethoxy)propyl 2-(methylamino)benzoate has a molecular weight of 267.32 g/mol, XLogP of 1.94, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)propyl 2-(methylamino)benzoate is sourced from PubChem (CID 103403616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).